SCHEMBL25697332

SCHEMBL25697332

CC(C)NC1CC2(C1)CN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.57
ATXN2 Q99700 6/20 0.57
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
HTR2C P28335 1/20 0.44
CYP3A4 P08684 5/20 0.43
TSHR P16473 5/20 0.43
CYP2C9 P11712 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM1A O60341 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23704607 0.82 SMN1; SMN2 (0.55) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL6972358 0.81 SMN1; SMN2 (0.65) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30553394 0.81 SMN1; SMN2 (0.64) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL16616151 0.81 SMN1; SMN2 (0.54) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL27172319 0.81 ENPP2 (0.57) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL27194552 0.81 ENPP2 (0.49) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
Iodide SCHEMBL30143510 0.80 ENPP2 (0.53) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL9963117 0.80 MEN1 (0.50) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL26204656 0.80 MEN1 (0.50) ENPP2ATXN2SMN1; SMN2NPC1RAB9A
SCHEMBL2241312 0.79 SMN1; SMN2 (0.59) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 ENPP2 4196/4885ATXN2 1433/4885SMN1; SMN2 2003/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.